SCHEMBL5507856

SCHEMBL5507856

C(#Cc1ccccc1)/C=C\C#Cc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
APP P05067 1/20 0.61
MAPT P10636 2/20 0.46
CYP1A2 P05177 3/20 0.44
CYP3A4 P08684 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
THPO P40225 1/20 0.44
BLM P54132 1/20 0.42
PMP22 Q01453 1/20 0.42
GRM5 P41594 1/20 0.42
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.41
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MTOR P42345 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9146168 1.00 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5507858 1.00 APP (0.61) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL9434307 0.85 APP (0.50) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5100970 0.85 APP (0.50) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL5100967 0.85 APP (0.50) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3888883 0.83 APP (0.48) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL3888887 0.83 APP (0.48) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL15912585 0.81 APP (0.46) APPMAPTCYP1A2CYP3A4CYP2C9
SCHEMBL1232576 0.81 FFAR1 (0.58) APPNPC1KDM4EMEN1ALDH1A1
SCHEMBL28978993 0.81 APP (0.46) APPMAPTCYP1A2CYP3A4CYP2C9

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1109552-A4 NOVEL DNA-CLEAVING ANTITUMOR AGENTS RES DEV FOUNDATION (US) 2007-11-07 EP disclosed
US-6908948-B1 DNA-cleaving antitumor agents RESEARCH DEVELOPMENT FOUNDATION (US) 2005-06-21 US disclosed
US-6686345-B2 INCLUDES AN AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE; ARE PREFERABLY NON-HYDROLYZABLE, CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2004-02-03 US disclosed
US-20020132797-A1 DNA-cleaving antitumor agents NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2002-09-19 US disclosed
US-6297284-B1 AZA-ENEDIYNE, AZA-ENYNE ALLENE, OR AN AZA-DIALLENE CATIONIC COMPOUNDS THAT BIND TO NUCLEIC ACIDS. RESEARCH DEVELOPMENT FOUNDATION 2001-10-02 US disclosed
EP-1109552-A1 NOVEL DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2001-06-27 EP disclosed
WO-2000003709-A9 NOVEL DNA-CLEAVING ANTITUMOR AGENTS UNIV TEXAS (US) 2000-07-20 WO disclosed
WO-2000003709-A1 NOVEL DNA-CLEAVING ANTITUMOR AGENTS RESEARCH DEVELOPMENT FOUNDATION (US) 2000-01-27 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20020132797-A1 DNA-cleaving antitumor agents DNASE1, DNASE1L3, DCLRE1B APP 4231/4885MAPT 4775/4885CYP1A2 2544/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.